PUBCHEM-ZINC06521117 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.6940 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.0620 1.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7260 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.9420 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0630 -1.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.5570 -2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.7150 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.1140 -2.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8120 2.3950 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1380 -2.1340 3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -3.8330 2.4050 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5060 -4.0490 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -5.1370 3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -5.1300 3.6240 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6370 -4.8140 4.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -3.8820 2.5440 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -6.5080 3.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -7.4950 4.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -3.2440 3.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -3.7980 3.1440 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3190 -4.3520 3.1860 N 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1690 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -5.9570 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -5.3020 3.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -6.5040 3.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -6.7390 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -8.3950 4.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 22 2 0 0 0 0 22 23 2 0 0 0 0 M CHG 1 22 1 M CHG 1 23 -1 M END